Geometry & MOs

Info

ID:	325496
PubChem CID:	126683628
Reduced:	FPC5O7H10 (1)
Stoich.:	ABC5D7E10 (1)
Weight, g/mol:	533.21107
ΔH_f, kcal/mol:	-426.02
Dipole, Da:	2.98
IP(EA), eV:	-11.01(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(5-amino-6-carbamoylpyridin-2-yl)piperidin-1-yl]-6-[[(1R,2S)-2-cyanocyclopropyl]methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C([C@@H]1[C@@H](C([C@H](O1)F)O)O)OP(=O)(O)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C([C@@H]1[C@@H](C([C@H](O1)F)O)O)OP(=O)(O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):